Information card for entry 4087767

Structure parameters

• Formula: C18 H17 Cl N4 O Pd
• Calculated formula: C18 H17 Cl N4 O Pd
• SMILES: C12N(C=CN1CC(=O)N1Cc3cccc[n]3[Pd]=21Cl)Cc1ccccc1
• Title of publication: Palladium Complexes with Tridentate N-Heterocyclic Carbene Ligands: Selective “Normal” and “Abnormal” Bindings and Their Anticancer Activities
• Authors of publication: Lee, Jing-Yi; Lee, Jhen-Yi; Chang, Yuan-Yu; Hu, Ching-Han; Wang, Nancy M.; Lee, Hon Man
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 17
• Pages of publication: 4359
• a: 7.821 ± 0.004 Å
• b: 8.102 ± 0.004 Å
• c: 26.932 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1706.6 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No